2-chloro-5-methylpyridin-4-ol

• ChemBase ID: 246738
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: c1c(c(cnc1Cl)C)O
• Canonical SMILES: Clc1ncc(c(c1)O)C
• InChI: InChI=1S/C6H6ClNO/c1-4-3-8-6(7)2-5(4)9/h2-3H,1H3,(H,8,9)
• InChIKey: GOUISLIKOIBJMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methylpyridin-4-ol
• IUPAC Traditional name: 2-chloro-5-methylpyridin-4-ol
• Synonyms: 2-chloro-5-methylpyridin-4-ol

Database IDs

• MDL Number: MFCD16610469
• PubChem SID: 164302648
• PubChem CID: 71758064

CALCULATED PROPERTIES

• Acid pKa: 9.793545
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7896248
• LogD (pH = 7.4): 1.7879303
• Log P: 1.7896513
• Molar Refractivity: 36.7893 cm^3
• Polarizability: 13.761661 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 2.223

Product Information

• Purity: 95%